T604-0898 Screening compound: ethyl 4-{2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-(pyrazin-2-yl)-1,6-dihydropyrimidin-1-yl]acetamido}benzoate

T604-0898 Screening compound: ethyl 4-{2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-(pyrazin-2-yl)-1,6-dihydropyrimidin-1-yl]acetamido}benzoate
T604-0898 Screening compound: ethyl 4-{2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-(pyrazin-2-yl)-1,6-dihydropyrimidin-1-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound T604-0898
ethyl 4-{2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-(pyrazin-2-yl)-1,6-dihydropyrimidin-1-yl]acetamido}benzoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

T604-0898

Molecular Formula

C22H23N5O5 (C22 H23 N5 O5)

Compound Name

ethyl 4-{2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-(pyrazin-2-yl)-1,6-dihydropyrimidin-1-yl]acetamido}benzoate

IUPAC name

ethyl 4-{2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-(pyrazin-2-yl)-16-dihydropyrimidin-1-yl]acetamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(CN(C(c1nccnc1)=NC(C)=C1CCO)C1=O)=O)=O

InChI

InChI=1S/C22H23N5O5/c1-3-32-22(31)15-4-6-16(7-5-15)26-19(29)13-27-20(18-12-23-9-10-24-18)25-14(2)17(8-11-28)21(27)30/h4-7,9-10,12,28H,3,8,11,13H2,1-2H3,(H,26,29)

InChI Key

PCWZIDTVRAIQCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28997969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.803

Distribution Coefficient, logD

0.803

Water Solubility, LogSw

-1.47

Polar Surface Area

104.126

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

3.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

T604-0898 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

Bromodomain Modulators Library (5801 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with T604-0898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T604-0898?
Check Price and Availability of T604-0898, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of T604-0898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T604-0898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T604-0898
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of T604-0898 available by request